PSF EXT 8 !NTITLE REMARKS original generated structure x-plor psf file REMARKS topology top_all36_prot.rtf REMARKS topology top_all36_cgenff.rtf REMARKS topology toppar_all36_na_nad_ppi.str REMARKS topology top_all36_na.rtf REMARKS topology toppar_water_ions.str REMARKS segment A { first NONE; last NONE; auto angles dihedrals } REMARKS segment M { first NONE; last NONE; auto angles dihedrals } 45 !NATOM 1 A 1 ATP C4' CG3C51 0.110000 12.0110 0 2 A 1 ATP H4' HGA1 0.090000 1.0080 0 3 A 1 ATP O4' OG3C51 -0.400000 15.9994 0 4 A 1 ATP C1' CG3C51 0.110000 12.0110 0 5 A 1 ATP H1' HGA1 0.090000 1.0080 0 6 A 1 ATP C5 CG2RC0 0.280000 12.0110 0 7 A 1 ATP N7 NG2R50 -0.710000 14.0070 0 8 A 1 ATP C8 CG2R53 0.340000 12.0110 0 9 A 1 ATP H8 HGR52 0.120000 1.0080 0 10 A 1 ATP N9 NG2R51 -0.050000 14.0070 0 11 A 1 ATP N1 NG2R62 -0.740000 14.0070 0 12 A 1 ATP C2 CG2R64 0.500000 12.0110 0 13 A 1 ATP H2 HGR62 0.130000 1.0080 0 14 A 1 ATP N3 NG2R62 -0.750000 14.0070 0 15 A 1 ATP C4 CG2RC0 0.430000 12.0110 0 16 A 1 ATP C6 CG2R64 0.460000 12.0110 0 17 A 1 ATP N6 NG2S3 -0.770000 14.0070 0 18 A 1 ATP H61 HGP4 0.380000 1.0080 0 19 A 1 ATP H62 HGP4 0.380000 1.0080 0 20 A 1 ATP C2' CG3C51 0.140000 12.0110 0 21 A 1 ATP H2'' HGA1 0.090000 1.0080 0 22 A 1 ATP O2' OG311 -0.650000 15.9994 0 23 A 1 ATP H2' HGP1 0.420000 1.0080 0 24 A 1 ATP C3' CG3C51 0.140000 12.0110 0 25 A 1 ATP H3' HGA1 0.090000 1.0080 0 26 A 1 ATP O3' OG311 -0.650000 15.9994 0 27 A 1 ATP H3T HGP1 0.420000 1.0080 0 28 A 1 ATP C5' CG321 -0.080000 12.0110 0 29 A 1 ATP H5' HGA2 0.090000 1.0080 0 30 A 1 ATP H5'' HGA2 0.090000 1.0080 0 31 A 1 ATP O5' OG303 -0.620000 15.9994 0 32 A 1 ATP PA PG1 1.500000 30.9738 0 33 A 1 ATP O1A OG2P1 -0.820000 15.9994 0 34 A 1 ATP O2A OG2P1 -0.820000 15.9994 0 35 A 1 ATP O3A OG304 -0.740000 15.9994 0 36 A 1 ATP PB PG1 1.500000 30.9738 0 37 A 1 ATP O1B OG2P1 -0.820000 15.9994 0 38 A 1 ATP O2B OG2P1 -0.820000 15.9994 0 39 A 1 ATP O3B OG304 -0.860000 15.9994 0 40 A 1 ATP PG PG2 1.100000 30.9738 0 41 A 1 ATP O1G OG2P1 -0.900000 15.9994 0 42 A 1 ATP O2G OG2P1 -0.900000 15.9994 0 43 A 1 ATP O3G OG2P1 -0.900000 15.9994 0 44 M 2 MG MG MG 2.000000 24.3050 0 45 M 3 MG MG MG 2.000000 24.3050 0 45 !NBOND: bonds 1 3 1 24 1 2 3 4 4 10 4 20 4 5 6 7 7 8 8 9 10 15 10 8 11 16 12 11 12 13 14 12 15 14 15 6 16 17 16 6 17 18 17 19 20 24 20 22 20 21 22 23 24 26 24 25 26 27 28 1 28 29 28 30 31 28 31 32 32 33 32 34 32 35 35 36 36 37 36 38 36 39 39 40 40 41 40 42 40 43 78 !NTHETA: angles 1 28 30 1 28 29 1 24 25 1 24 26 1 24 20 1 3 4 3 4 5 3 4 20 3 4 10 3 1 2 3 1 24 4 20 21 4 20 22 4 20 24 4 10 8 4 10 15 6 16 11 6 7 8 7 6 15 9 8 7 10 15 6 10 15 14 10 8 7 10 8 9 10 4 5 10 4 20 11 12 14 11 12 13 12 11 16 13 12 14 14 15 6 15 14 12 15 10 8 16 17 19 16 17 18 16 6 15 16 6 7 17 16 11 17 16 6 18 17 19 20 24 25 20 24 26 20 22 23 20 4 5 22 20 21 24 26 27 24 20 21 24 20 22 24 1 2 26 24 25 28 31 32 28 1 2 28 1 24 28 1 3 29 28 30 31 32 35 31 32 34 31 32 33 31 28 30 31 28 29 31 28 1 32 35 36 33 32 35 33 32 34 34 32 35 35 36 39 35 36 38 35 36 37 36 39 40 37 36 39 37 36 38 38 36 39 39 40 43 39 40 42 39 40 41 41 40 43 41 40 42 42 40 43 104 !NPHI: dihedrals 1 28 31 32 1 24 20 4 1 24 20 22 1 24 20 21 1 24 26 27 1 3 4 10 1 3 4 20 1 3 4 5 2 1 28 31 2 1 28 29 2 1 28 30 2 1 3 4 2 1 24 20 2 1 24 26 2 1 24 25 3 4 10 15 3 4 10 8 3 4 20 24 3 4 20 22 3 4 20 21 3 1 28 31 3 1 28 29 3 1 28 30 3 1 24 20 3 1 24 26 3 1 24 25 4 20 24 26 4 20 24 25 4 20 22 23 4 10 15 14 4 10 15 6 4 10 8 9 4 10 8 7 4 3 1 28 4 3 1 24 5 4 10 15 5 4 10 8 5 4 20 24 5 4 20 22 5 4 20 21 6 16 17 18 6 16 17 19 6 16 11 12 6 15 10 8 6 15 14 12 6 7 8 10 6 7 8 9 7 8 10 15 7 6 16 17 7 6 16 11 7 6 15 10 7 6 15 14 8 10 4 20 8 10 15 14 8 7 6 16 8 7 6 15 9 8 10 15 10 15 14 12 10 15 6 16 10 4 20 24 10 4 20 22 10 4 20 21 11 16 17 18 11 16 17 19 11 16 6 15 11 12 14 15 12 11 16 17 13 12 11 16 13 12 14 15 14 15 6 16 14 12 11 16 15 10 4 20 15 6 16 17 20 24 1 28 20 24 26 27 21 20 24 26 21 20 24 25 21 20 22 23 22 20 24 26 22 20 24 25 23 22 20 24 24 1 28 31 24 1 28 29 24 1 28 30 25 24 1 28 25 24 26 27 26 24 1 28 28 31 32 33 28 31 32 34 28 31 32 35 29 28 31 32 30 28 31 32 31 32 35 36 32 35 36 37 32 35 36 38 32 35 36 39 33 32 35 36 34 32 35 36 35 36 39 40 36 39 40 41 36 39 40 42 36 39 40 43 37 36 39 40 38 36 39 40 2 !NIMPHI: impropers 16 6 11 17 17 19 18 16 0 !NDON: donors 0 !NACC: acceptors 0 !NNB 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 !NGRP 0 0 0